6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C21H18N4O3 — CID 3139811

IUPAC6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O
InChIInChI=1S/C21H18N4O3/c1-2-27-16-10-13(8-9-15(16)26)17-14(11-22)20(23)28-21-18(17)19(24-25-21)12-6-4-3-5-7-12/h3-10,17,26H,2,23H2,1H3,(H,24,25)
InChIKeyJTFJZVAGCAHSDN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.40
Rot. Bonds4

About 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3139811) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3139811
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O
InChIInChI=1S/C21H18N4O3/c1-2-27-16-10-13(8-9-15(16)26)17-14(11-22)20(23)28-21-18(17)19(24-25-21)12-6-4-3-5-7-12/h3-10,17,26H,2,23H2,1H3,(H,24,25)
InChIKeyJTFJZVAGCAHSDN-UHFFFAOYSA-N
XLogP3.40
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3139811) is 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O.
What is the InChIKey of 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is JTFJZVAGCAHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-27-16-10-13(8-9-15(16)26)17-14(11-22)20(23)28-21-18(17)19(24-25-21)12-6-4-3-5-7-12/h3-10,17,26H,2,23H2,1H3,(H,24,25).
What are the key properties of 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3139811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).